#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2idm n ASP 3 N 0.00 -2.51 -0.13 0.00 2.03 -1.26 -4.81 116.55 109.87 2idm n ASP 3 Ca 0.00 -0.01 0.09 0.00 0.52 0.00 0.00 54.79 55.39 2idm n ASP 3 Cb 0.00 -0.96 0.47 0.00 -0.72 0.00 0.00 41.12 39.92 2idm n ASP 3 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2idm n LYS 4 N -1.40 1.17 0.09 -0.67 5.02 -1.26 -2.65 118.16 118.46 2idm n LYS 4 Ca 0.02 -0.25 0.12 0.00 -2.02 0.00 0.00 58.31 56.18 2idm n LYS 4 Cb 0.62 -1.29 0.17 0.00 -0.02 0.00 0.00 35.03 34.50 2idm n LYS 4 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2idm h GLU 5 N 0.50 0.00 -6.08 1.97 4.39 -1.89 -3.36 114.58 110.11 2idm h GLU 5 Ca 0.00 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.01 2idm h GLU 5 Cb 0.11 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 28.85 2idm h GLU 5 CO 0.00 0.00 -0.25 -0.11 -1.16 0.00 0.00 179.01 177.49 2idm n LEU 6 N -2.35 -0.38 -4.62 1.33 7.94 -1.09 -4.66 117.00 113.18 2idm n LEU 6 Ca 0.03 1.14 -0.41 0.00 -1.11 0.00 0.00 56.01 55.66 2idm n LEU 6 Cb 0.47 -1.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.35 2idm n LEU 6 CO 0.36 -2.41 0.44 -0.75 -1.11 0.00 0.00 177.39 173.92 2idm s LYS 7 N -0.76 4.02 0.14 1.96 2.20 -1.26 -4.55 119.74 121.50 2idm s LYS 7 Ca 0.71 0.50 -0.04 0.00 -0.36 0.00 0.00 55.97 56.77 2idm s LYS 7 Cb -0.98 -3.69 -0.05 0.00 -1.51 0.00 0.00 37.83 31.60 2idm s LYS 7 CO 0.56 -0.51 0.37 -0.06 -0.36 0.00 0.00 175.35 175.35 2idm s PHE 8 N 2.63 3.48 -0.10 4.03 0.40 0.60 -0.30 117.98 128.71 2idm s PHE 8 Ca 0.27 0.53 0.02 0.00 -0.60 0.00 0.00 56.93 57.15 2idm s PHE 8 Cb -0.15 -1.98 0.01 0.00 0.51 0.00 0.00 43.02 41.41 2idm s PHE 8 CO 0.10 0.44 -0.15 -1.17 0.70 0.00 0.00 175.22 175.14 2idm s LEU 9 N -2.68 1.72 -0.22 -0.37 0.20 -0.34 -1.27 118.68 115.72 2idm s LEU 9 Ca 0.41 -0.42 -0.04 0.00 0.69 0.00 0.00 54.13 54.76 2idm s LEU 9 Cb -0.12 -1.07 -0.01 0.00 -0.43 0.00 0.00 46.19 44.55 2idm s LEU 9 CO 0.25 0.02 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.61 2idm s VAL 10 N 0.94 3.53 -0.19 1.68 1.01 -0.45 -0.58 120.40 126.34 2idm s VAL 10 Ca -0.08 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 2idm s VAL 10 Cb -0.15 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.63 2idm s VAL 10 CO -0.01 0.42 -0.15 -0.69 0.00 0.00 0.00 175.10 174.67 2idm s VAL 11 N 1.41 2.52 -0.28 2.92 1.01 0.21 -0.74 120.40 127.45 2idm s VAL 11 Ca 0.05 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 2idm s VAL 11 Cb -0.14 -2.09 0.12 0.00 0.00 0.00 0.00 36.38 34.27 2idm s VAL 11 CO -0.02 0.50 1.01 -0.62 0.00 0.00 0.00 175.10 175.98 2idm s ASP 12 N 1.26 -0.47 0.00 3.32 -1.08 -1.05 -4.35 116.67 114.30 2idm s ASP 12 Ca 0.03 0.91 0.29 0.00 -0.52 0.00 0.00 52.55 53.26 2idm s ASP 12 Cb -0.14 0.92 1.69 0.00 -1.46 0.00 0.00 42.92 43.93 2idm s ASP 12 CO -0.08 -0.16 2.07 -0.90 0.52 0.00 0.00 175.17 176.63 2idm n ASP 13 N 2.26 0.00 -4.36 -0.34 5.75 -1.23 -4.33 116.55 114.30 2idm n ASP 13 Ca -0.13 -0.73 -0.38 0.00 -0.01 0.00 0.00 54.79 53.55 2idm n ASP 13 Cb 0.56 -0.07 -0.12 0.00 -1.03 0.00 0.00 41.12 40.46 2idm n ASP 13 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2idm s PHE 14 N -2.14 3.17 0.31 2.11 0.08 -1.26 -4.98 117.98 115.27 2idm s PHE 14 Ca 0.40 -0.92 0.01 0.00 0.12 0.00 0.00 56.93 56.54 2idm s PHE 14 Cb 0.20 -2.29 0.49 0.00 -0.57 0.00 0.00 43.02 40.85 2idm s PHE 14 CO 0.36 -0.57 1.87 0.66 -0.10 0.00 0.00 175.22 177.44 2idm h SER 15 N 8.27 0.69 -0.70 1.36 4.64 -1.99 -1.76 113.55 124.06 2idm h SER 15 Ca -0.30 -0.11 0.01 0.00 -0.47 0.00 0.00 61.79 60.91 2idm h SER 15 Cb 1.13 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 2idm h SER 15 CO 0.61 0.67 0.46 0.74 -0.87 0.00 0.00 176.83 178.45 2idm h THR 16 N 0.73 1.18 -0.33 2.95 2.02 -1.97 -0.68 112.91 116.81 2idm h THR 16 Ca 0.17 -0.33 -0.10 0.00 0.77 0.00 0.00 66.41 66.91 2idm h THR 16 Cb 0.25 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2idm h THR 16 CO -0.01 0.18 -0.22 -0.03 0.37 0.00 0.00 175.52 175.81 2idm h MET 17 N 0.96 0.63 -0.73 6.66 -1.53 -1.85 -2.01 114.93 117.05 2idm h MET 17 Ca 0.26 -0.24 -0.02 0.00 -3.44 0.00 0.00 59.70 56.26 2idm h MET 17 Cb -0.11 -0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 30.87 2idm h MET 17 CO -0.06 0.80 0.36 0.00 0.14 0.00 0.00 176.91 178.15 2idm h ARG 18 N 0.55 1.04 -0.30 0.39 3.08 -0.46 -1.31 114.38 117.37 2idm h ARG 18 Ca 0.08 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 2idm h ARG 18 Cb 0.67 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2idm h ARG 18 CO 0.05 0.81 -0.21 -0.09 -1.07 0.00 0.00 179.97 179.46 2idm h ARG 19 N 1.02 0.56 -0.11 0.04 9.65 -0.96 0.18 114.38 124.76 2idm h ARG 19 Ca 0.25 -0.20 0.01 0.00 -1.10 0.00 0.00 59.98 58.93 2idm h ARG 19 Cb 0.10 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 2idm h ARG 19 CO -0.03 0.74 0.05 0.82 2.80 0.00 0.00 179.97 184.34 2idm h ILE 20 N 0.50 1.00 -0.58 1.20 2.04 -1.00 0.33 117.51 121.00 2idm h ILE 20 Ca 0.08 -0.04 -0.09 0.00 1.00 0.00 0.00 64.86 65.81 2idm h ILE 20 Cb 0.64 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 2idm h ILE 20 CO 0.05 0.02 -0.01 0.58 0.00 0.00 0.00 178.15 178.79 2idm h VAL 21 N 0.11 1.27 -0.61 1.67 2.07 -0.70 -1.01 116.25 119.05 2idm h VAL 21 Ca 0.04 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 2idm h VAL 21 Cb 0.01 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2idm h VAL 21 CO -0.03 0.41 0.24 -0.09 0.02 0.00 0.00 177.57 178.12 2idm h ARG 22 N 0.92 0.92 -0.55 1.57 2.43 -0.51 -0.54 114.38 118.63 2idm h ARG 22 Ca 0.16 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2idm h ARG 22 Cb 0.56 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2idm h ARG 22 CO 0.03 0.78 0.19 -0.97 -1.51 0.00 0.00 179.97 178.49 2idm h ASN 23 N 0.86 0.78 -0.63 -3.80 -0.73 0.03 0.70 115.58 112.79 2idm h ASN 23 Ca 0.20 -0.19 -0.05 0.00 1.87 0.00 0.00 56.30 58.13 2idm h ASN 23 Cb 0.21 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 38.57 2idm h ASN 23 CO -0.02 0.77 0.22 -0.07 -0.37 0.00 0.00 177.43 177.96 2idm h LEU 24 N 0.75 0.90 -0.55 0.34 3.38 -1.02 0.14 115.31 119.26 2idm h LEU 24 Ca 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2idm h LEU 24 Cb 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2idm h LEU 24 CO -0.01 0.86 0.27 -0.07 0.09 0.00 0.00 178.44 179.58 2idm h LEU 25 N 0.90 0.71 -0.11 1.67 3.38 -0.85 -1.70 115.31 119.31 2idm h LEU 25 Ca 0.21 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2idm h LEU 25 Cb 0.26 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2idm h LEU 25 CO -0.01 0.63 -0.07 0.50 0.09 0.00 0.00 178.44 179.58 2idm h LYS 26 N 0.74 -0.07 -0.82 1.13 1.63 -0.41 -0.26 116.57 118.51 2idm h LYS 26 Ca 0.19 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 60.13 2idm h LYS 26 Cb 0.10 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.69 2idm h LYS 26 CO -0.03 -0.05 0.54 1.49 -3.45 0.00 0.00 179.45 177.96 2idm h GLU 27 N -0.07 0.59 -0.00 1.90 4.81 -0.63 0.28 114.58 121.46 2idm h GLU 27 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2idm h GLU 27 Cb 0.17 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2idm h GLU 27 CO -0.15 0.39 -0.00 1.28 -0.73 0.00 0.00 179.01 179.80 2idm n LEU 28 N -4.52 0.01 0.00 1.64 4.77 -0.54 -4.90 117.00 113.45 2idm n LEU 28 Ca 0.15 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 2idm n LEU 28 Cb 0.46 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2idm n LEU 28 CO 0.31 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2idm n GLY 29 N 1.30 0.63 3.49 -0.72 0.00 0.99 -5.06 105.19 105.81 2idm n GLY 29 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 2idm n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2idm s PHE 30 N -2.00 2.96 -1.35 1.61 0.08 -0.22 -4.86 117.98 114.21 2idm s PHE 30 Ca 0.00 -0.27 0.19 0.00 0.12 0.00 0.00 56.93 56.98 2idm s PHE 30 Cb 0.00 -3.70 -0.11 0.00 -0.57 0.00 0.00 43.02 38.64 2idm s PHE 30 CO 0.00 -1.12 0.90 0.09 -0.10 0.00 0.00 175.22 174.99 2idm n ASN 31 N 6.65 1.37 -4.36 1.36 3.02 -1.26 -3.01 115.26 119.04 2idm n ASN 31 Ca -0.03 -1.19 -0.46 0.00 -0.03 0.00 0.00 54.58 52.88 2idm n ASN 31 Cb 0.47 0.74 -0.02 0.00 -0.61 0.00 0.00 39.78 40.36 2idm n ASN 31 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2idm s ASN 32 N -2.52 6.82 -0.03 6.41 -0.87 -1.26 -5.01 114.94 118.48 2idm s ASN 32 Ca 0.12 -2.68 -0.00 0.00 -1.57 0.00 0.00 52.86 48.72 2idm s ASN 32 Cb 0.15 -2.25 0.03 0.00 -0.02 0.00 0.00 41.25 39.16 2idm s ASN 32 CO 0.64 -0.64 0.04 -0.69 -2.57 0.00 0.00 177.10 173.89 2idm s VAL 33 N 0.54 -0.06 0.35 1.60 1.01 -1.26 -0.29 120.40 122.28 2idm s VAL 33 Ca 0.23 0.22 0.09 0.00 0.00 0.00 0.00 61.98 62.53 2idm s VAL 33 Cb -0.09 -0.10 -0.06 0.00 0.00 0.00 0.00 36.38 36.13 2idm s VAL 33 CO -0.09 0.09 -0.07 -1.61 0.00 0.00 0.00 175.10 173.42 2idm s GLU 34 N 1.14 1.86 0.16 2.72 2.02 -0.40 -4.99 118.70 121.21 2idm s GLU 34 Ca -0.08 -1.93 0.08 0.00 0.02 0.00 0.00 54.97 53.05 2idm s GLU 34 Cb -0.13 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 2idm s GLU 34 CO -0.03 0.12 -0.17 -1.21 0.02 0.00 0.00 175.26 173.99 2idm s GLU 35 N -3.63 1.22 0.00 1.61 2.02 -1.26 -1.34 118.70 117.32 2idm s GLU 35 Ca 0.33 -1.39 0.02 0.00 0.02 0.00 0.00 54.97 53.95 2idm s GLU 35 Cb 0.03 -1.20 -0.01 0.00 0.10 0.00 0.00 34.13 33.05 2idm s GLU 35 CO 0.17 0.24 -0.07 0.00 0.02 0.00 0.00 175.26 175.62 2idm s ALA 36 N -2.18 0.55 -2.71 5.21 0.00 0.08 -4.89 121.76 117.82 2idm s ALA 36 Ca 0.15 -0.35 0.26 0.00 0.00 0.00 0.00 51.96 52.02 2idm s ALA 36 Cb -0.05 -0.11 0.64 0.00 0.00 0.00 0.00 23.12 23.59 2idm s ALA 36 CO 0.06 0.11 1.51 0.39 0.00 0.00 0.00 175.76 177.83 2idm n GLU 37 N 2.71 1.99 -3.60 0.00 1.02 -1.26 -2.53 120.64 118.97 2idm n GLU 37 Ca -0.14 -1.44 -0.03 0.00 -0.02 0.00 0.00 57.16 55.52 2idm n GLU 37 Cb 0.57 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.51 2idm n GLU 37 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2idm s ASP 38 N -1.96 -0.12 0.28 1.62 1.47 -1.26 -3.56 116.67 113.13 2idm s ASP 38 Ca 0.33 -0.03 0.01 0.00 1.18 0.00 0.00 52.55 54.05 2idm s ASP 38 Cb 0.20 0.15 0.63 0.00 -0.34 0.00 0.00 42.92 43.56 2idm s ASP 38 CO 0.32 -0.25 1.73 1.23 0.68 0.00 0.00 175.17 178.88 2idm h GLY 39 N 2.00 1.46 0.89 2.12 0.00 -1.86 0.28 103.07 107.95 2idm h GLY 39 Ca -0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 2idm h GLY 39 CO 0.24 -0.15 -0.02 -2.08 0.00 0.00 0.00 176.54 174.54 2idm h VAL 40 N 0.52 1.04 -0.53 4.60 2.07 -1.94 0.14 116.25 122.15 2idm h VAL 40 Ca 0.51 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.77 2idm h VAL 40 Cb 0.85 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 2idm h VAL 40 CO -0.44 0.06 0.29 -0.78 0.02 0.00 0.00 177.57 176.73 2idm h ASP 41 N -0.16 0.64 0.23 0.57 3.58 -1.70 0.27 116.42 119.85 2idm h ASP 41 Ca -0.00 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 2idm h ASP 41 Cb 0.14 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2idm h ASP 41 CO 0.01 0.51 -0.11 0.00 -2.88 0.00 0.00 179.24 176.77 2idm h ALA 42 N 1.60 -0.31 -0.58 -0.78 0.00 -0.03 -1.54 119.26 117.61 2idm h ALA 42 Ca 0.19 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2idm h ALA 42 Cb 0.01 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2idm h ALA 42 CO -0.03 -0.62 0.09 -0.07 0.00 0.00 0.00 179.25 178.61 2idm h LEU 43 N -0.41 0.90 -0.74 0.00 3.38 -0.30 0.44 115.31 118.57 2idm h LEU 43 Ca -0.03 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.75 2idm h LEU 43 Cb 0.31 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2idm h LEU 43 CO 0.05 0.91 0.49 0.78 0.09 0.00 0.00 178.44 180.75 2idm h ASN 44 N 0.89 0.83 -0.17 -0.43 2.35 -0.92 -0.15 115.58 117.99 2idm h ASN 44 Ca 0.18 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 2idm h ASN 44 Cb 0.40 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 2idm h ASN 44 CO 0.01 0.59 -0.26 0.11 -1.65 0.00 0.00 177.43 176.24 2idm h LYS 45 N 0.98 0.47 -0.70 0.81 1.57 -0.62 -3.21 116.57 115.86 2idm h LYS 45 Ca 0.28 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2idm h LYS 45 Cb -0.08 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2idm h LYS 45 CO -0.07 0.87 0.24 -0.07 -0.57 0.00 0.00 179.45 179.85 2idm h LEU 46 N 0.10 1.01 -2.53 2.94 3.38 0.04 -1.78 115.31 118.48 2idm h LEU 46 Ca 0.02 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2idm h LEU 46 Cb 0.83 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2idm h LEU 46 CO 0.06 0.94 0.03 1.56 0.09 0.00 0.00 178.44 181.11 2idm h GLN 47 N 1.02 0.00 0.00 1.13 4.20 -1.09 0.36 115.11 120.74 2idm h GLN 47 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2idm h GLN 47 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2idm h GLN 47 CO -0.01 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.15 2idm n ALA 48 N -2.28 1.69 -1.13 3.87 0.00 -0.67 -4.95 120.51 117.04 2idm n ALA 48 Ca -0.02 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.51 2idm n ALA 48 Cb 0.11 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.36 2idm n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2idm n GLY 49 N -0.55 -2.95 1.26 0.00 0.00 0.13 -4.98 105.19 98.10 2idm n GLY 49 Ca 0.05 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2idm n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2idm n GLY 50 N -3.88 0.72 3.85 -0.02 0.00 -1.26 -4.96 105.19 99.64 2idm n GLY 50 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2idm n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2idm s TYR 51 N -2.82 3.67 -0.35 1.61 1.51 -1.26 -4.60 117.35 115.11 2idm s TYR 51 Ca 0.00 0.93 0.05 0.00 -1.01 0.00 0.00 57.07 57.04 2idm s TYR 51 Cb 0.00 -2.25 0.14 0.00 -0.11 0.00 0.00 41.96 39.74 2idm s TYR 51 CO 0.00 0.58 1.11 0.41 -1.11 0.00 0.00 175.55 176.55 2idm n GLY 52 N 1.43 3.03 3.65 0.71 0.00 0.59 -4.92 105.19 109.68 2idm n GLY 52 Ca -0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 2idm n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2idm s PHE 53 N -1.14 -0.20 -0.09 1.61 2.19 -1.10 -4.42 117.98 114.83 2idm s PHE 53 Ca 0.11 0.44 0.03 0.00 0.33 0.00 0.00 56.93 57.85 2idm s PHE 53 Cb 0.07 0.33 0.00 0.00 -1.31 0.00 0.00 43.02 42.11 2idm s PHE 53 CO 0.06 -0.10 -0.20 0.08 1.83 0.00 0.00 175.22 176.89 2idm s VAL 54 N 0.48 1.77 -0.22 3.12 1.01 0.81 -1.20 120.40 126.17 2idm s VAL 54 Ca 0.01 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 2idm s VAL 54 Cb -0.04 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.80 2idm s VAL 54 CO -0.12 0.49 -0.07 -0.63 0.00 0.00 0.00 175.10 174.77 2idm s ILE 55 N 0.45 3.11 0.00 2.22 1.01 0.25 0.01 121.20 128.25 2idm s ILE 55 Ca -0.17 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2idm s ILE 55 Cb -0.17 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.87 2idm s ILE 55 CO 0.07 0.41 0.00 -0.24 0.00 0.00 0.00 174.94 175.18 2idm n SER 56 N 4.75 0.00 0.05 3.58 2.88 0.22 -0.62 113.62 124.49 2idm n SER 56 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 2idm n SER 56 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2idm n SER 56 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 2idm n TRP 58 N 0.00 -0.11 -2.67 0.66 -0.00 -0.67 -0.90 117.44 113.76 2idm n TRP 58 Ca 0.00 0.02 -0.42 0.00 -0.00 0.00 0.00 57.50 57.10 2idm n TRP 58 Cb 0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 31.31 31.30 2idm n TRP 58 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 2idm s ASN 59 N -5.93 6.21 -0.00 5.87 3.04 -1.26 0.79 114.94 123.66 2idm s ASN 59 Ca 0.00 -0.53 -0.03 0.00 0.04 0.00 0.00 52.86 52.33 2idm s ASN 59 Cb 0.00 -2.51 -0.00 0.00 -1.54 0.00 0.00 41.25 37.20 2idm s ASN 59 CO 0.00 -1.63 0.06 -0.04 -3.04 0.00 0.00 177.10 172.45 2idm s MET 60 N 5.01 0.28 0.52 0.43 -1.94 -1.26 -4.83 119.30 117.51 2idm s MET 60 Ca 0.32 -0.30 -0.16 0.00 -1.71 0.00 0.00 55.69 53.84 2idm s MET 60 Cb -0.11 0.11 -0.08 0.00 2.01 0.00 0.00 34.83 36.77 2idm s MET 60 CO 0.15 -0.05 0.99 -2.14 -0.01 0.00 0.00 175.02 173.95 2idm s PRO 61 N -0.90 3.92 0.28 2.03 0.02 -1.26 -3.32 135.00 135.77 2idm s PRO 61 Ca -0.10 0.93 0.00 0.00 0.02 0.00 0.00 61.00 61.85 2idm s PRO 61 Cb -0.06 -2.13 0.00 0.00 0.02 0.00 0.00 34.50 32.33 2idm s PRO 61 CO 0.00 -0.29 0.00 0.09 -0.33 0.00 0.00 177.00 176.47 2idm n ASN 62 N -1.68 0.00 -4.07 2.53 3.02 -1.26 -4.60 115.26 109.20 2idm n ASN 62 Ca 0.06 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.29 2idm n ASN 62 Cb 0.54 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.56 2idm n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2idm s MET 63 N 0.00 2.14 1.30 3.52 1.75 -1.26 -5.10 119.30 121.65 2idm s MET 63 Ca 0.00 -1.43 -0.22 0.00 -1.25 0.00 0.00 55.69 52.79 2idm s MET 63 Cb 0.00 -2.98 0.33 0.00 2.84 0.00 0.00 34.83 35.02 2idm s MET 63 CO 0.00 -0.64 1.07 0.16 -0.65 0.00 0.00 175.02 174.96 2idm s ASP 64 N 1.10 0.04 0.40 1.11 1.47 -1.21 -3.92 116.67 115.66 2idm s ASP 64 Ca -0.05 0.55 0.12 0.00 1.18 0.00 0.00 52.55 54.35 2idm s ASP 64 Cb -0.20 -0.72 0.84 0.00 -0.34 0.00 0.00 42.92 42.50 2idm s ASP 64 CO -0.05 -4.65 1.92 1.23 0.68 0.00 0.00 175.17 174.29 2idm h GLY 65 N -2.95 0.10 0.91 2.12 0.00 0.10 -2.87 103.07 100.49 2idm h GLY 65 Ca -0.42 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 2idm h GLY 65 CO 0.27 0.06 0.10 -2.00 0.00 0.00 0.00 176.54 174.97 2idm h LEU 66 N 0.09 0.42 -0.69 3.11 5.85 -1.91 -1.85 115.31 120.33 2idm h LEU 66 Ca 0.02 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 2idm h LEU 66 Cb 0.43 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2idm h LEU 66 CO 0.03 0.50 0.16 -0.33 -0.34 0.00 0.00 178.44 178.46 2idm h GLU 67 N 0.32 1.11 0.10 1.25 5.08 -1.87 -2.00 114.58 118.57 2idm h GLU 67 Ca 0.10 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2idm h GLU 67 Cb 0.22 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2idm h GLU 67 CO -0.00 0.99 -0.14 1.25 -1.00 0.00 0.00 179.01 180.11 2idm h LEU 68 N 1.05 -0.37 -0.73 1.33 5.85 -1.33 -1.01 115.31 120.08 2idm h LEU 68 Ca 0.22 0.04 0.13 0.00 0.84 0.00 0.00 57.88 59.11 2idm h LEU 68 Cb 0.39 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.47 2idm h LEU 68 CO 0.00 -0.21 0.30 0.25 -0.34 0.00 0.00 178.44 178.45 2idm h LEU 69 N -0.28 0.30 -0.45 2.25 5.85 -1.10 -0.67 115.31 121.21 2idm h LEU 69 Ca 0.02 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 2idm h LEU 69 Cb 0.29 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2idm h LEU 69 CO -0.06 0.13 0.00 0.11 -0.34 0.00 0.00 178.44 178.28 2idm h LYS 70 N 0.47 0.80 -0.54 1.25 1.57 -1.04 0.04 116.57 119.11 2idm h LYS 70 Ca 0.39 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2idm h LYS 70 Cb 0.55 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2idm h LYS 70 CO -0.37 0.85 0.10 1.15 -0.57 0.00 0.00 179.45 180.62 2idm h THR 71 N 0.64 1.23 0.08 -0.16 2.02 -0.55 0.14 112.91 116.31 2idm h THR 71 Ca 0.13 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 2idm h THR 71 Cb 0.49 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2idm h THR 71 CO 0.02 0.32 -0.04 0.40 0.37 0.00 0.00 175.52 176.60 2idm h ILE 72 N 0.81 1.16 0.00 3.11 2.04 -0.94 -1.36 117.51 122.33 2idm h ILE 72 Ca 0.17 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 2idm h ILE 72 Cb 0.34 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2idm h ILE 72 CO 0.00 0.22 -0.04 0.03 0.00 0.00 0.00 178.15 178.36 2idm h ARG 73 N -0.51 0.00 -0.00 2.37 2.47 -0.80 -0.40 114.38 117.51 2idm h ARG 73 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2idm h ARG 73 Cb 0.43 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 2idm h ARG 73 CO 0.02 0.04 -0.30 0.00 0.56 0.00 0.00 179.97 180.28 2idm n ALA 74 N -2.53 3.10 -2.71 0.04 0.00 0.46 -4.63 120.51 114.24 2idm n ALA 74 Ca -0.03 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 2idm n ALA 74 Cb 0.12 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 2idm n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2idm s ASP 75 N -2.89 6.17 0.38 0.00 -1.08 -0.16 -4.91 116.67 114.18 2idm s ASP 75 Ca 0.15 -0.72 0.27 0.00 -0.52 0.00 0.00 52.55 51.73 2idm s ASP 75 Cb 0.18 -2.49 1.29 0.00 -1.46 0.00 0.00 42.92 40.45 2idm s ASP 75 CO 0.61 -1.63 1.37 0.61 0.52 0.00 0.00 175.17 176.65 2idm n GLY 76 N 5.35 -0.73 0.19 2.66 0.00 -1.26 -0.28 105.19 111.12 2idm n GLY 76 Ca -0.00 0.67 0.12 0.00 0.00 0.00 0.00 46.02 46.81 2idm n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2idm h ALA 77 N 1.43 0.98 0.00 4.61 0.00 -1.91 -3.34 119.26 121.03 2idm h ALA 77 Ca 0.77 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.66 2idm h ALA 77 Cb 2.42 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 20.17 2idm h ALA 77 CO -0.44 0.00 -0.44 0.00 0.00 0.00 0.00 179.25 178.37 2idm n MET 78 N -2.90 0.37 0.17 0.00 0.00 0.61 -4.85 117.12 110.52 2idm n MET 78 Ca 0.04 -1.59 0.16 0.00 0.00 0.00 0.00 57.70 56.31 2idm n MET 78 Cb 0.51 -0.73 0.75 0.00 0.00 0.00 0.00 33.22 33.75 2idm n MET 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2idm h SER 79 N 0.16 0.00 0.04 3.17 4.64 -0.98 -1.89 113.55 118.69 2idm h SER 79 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2idm h SER 79 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2idm h SER 79 CO 0.01 0.00 -0.12 0.00 -0.87 0.00 0.00 176.83 175.85 2idm n ALA 80 N -2.47 2.80 -1.70 5.18 0.00 -1.26 -4.58 120.51 118.49 2idm n ALA 80 Ca 0.02 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.51 2idm n ALA 80 Cb 0.33 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 2idm n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2idm n LEU 81 N 0.22 3.78 -4.72 0.00 7.94 -0.71 -4.92 117.00 118.60 2idm n LEU 81 Ca 0.15 1.04 -0.42 0.00 -1.11 0.00 0.00 56.01 55.67 2idm n LEU 81 Cb 0.42 -1.53 -0.03 0.00 0.53 0.00 0.00 43.42 42.82 2idm n LEU 81 CO 0.20 0.07 1.25 -2.84 -1.11 0.00 0.00 177.39 174.96 2idm s PRO 82 N 1.62 4.20 -0.17 1.96 0.02 -1.26 -4.91 135.00 136.46 2idm s PRO 82 Ca 0.78 2.40 -0.01 0.00 0.02 0.00 0.00 61.00 64.19 2idm s PRO 82 Cb -0.55 -3.15 0.05 0.00 0.02 0.00 0.00 34.50 30.88 2idm s PRO 82 CO 0.36 -0.63 -0.02 0.08 -0.33 0.00 0.00 177.00 176.46 2idm s VAL 83 N 1.16 0.85 -0.24 3.83 1.01 -1.26 -0.13 120.40 125.63 2idm s VAL 83 Ca 0.71 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 2idm s VAL 83 Cb -0.45 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 2idm s VAL 83 CO 0.31 0.01 0.15 -0.22 0.00 0.00 0.00 175.10 175.35 2idm s LEU 84 N 1.73 4.09 -0.12 3.92 2.96 0.10 0.22 118.68 131.58 2idm s LEU 84 Ca 0.00 0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.90 2idm s LEU 84 Cb -0.16 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 2idm s LEU 84 CO -0.07 0.07 0.26 -0.04 -1.32 0.00 0.00 176.35 175.25 2idm s MET 85 N 1.01 3.98 -0.22 1.98 -1.94 -0.04 -0.61 119.30 123.46 2idm s MET 85 Ca 0.07 0.08 -0.08 0.00 -1.71 0.00 0.00 55.69 54.05 2idm s MET 85 Cb -0.13 -3.33 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 2idm s MET 85 CO 0.04 0.47 0.08 0.08 -0.01 0.00 0.00 175.02 175.67 2idm s VAL 86 N -0.22 4.62 0.18 -6.03 1.01 -0.08 0.22 120.40 120.10 2idm s VAL 86 Ca 0.17 -0.08 0.11 0.00 0.00 0.00 0.00 61.98 62.18 2idm s VAL 86 Cb -0.13 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2idm s VAL 86 CO 0.05 0.39 -0.24 0.27 0.00 0.00 0.00 175.10 175.58 2idm s ILE 87 N 1.03 2.24 0.04 2.22 -4.36 0.73 -1.66 121.20 121.44 2idm s ILE 87 Ca 0.04 -1.96 0.17 0.00 -0.26 0.00 0.00 60.65 58.64 2idm s ILE 87 Cb -0.14 -2.04 0.09 0.00 1.25 0.00 0.00 42.46 41.61 2idm s ILE 87 CO 0.03 -0.11 1.59 0.00 0.24 0.00 0.00 174.94 176.69 2idm h ALA 88 N 3.34 0.83 -2.58 2.27 0.00 -1.87 -1.48 119.26 119.77 2idm h ALA 88 Ca -0.46 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 53.94 2idm h ALA 88 Cb 1.20 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.77 2idm h ALA 88 CO 0.47 0.58 -0.27 -1.21 0.00 0.00 0.00 179.25 178.81 2idm s GLU 89 N -3.30 0.88 -1.48 0.00 2.02 -1.26 -4.71 118.70 110.85 2idm s GLU 89 Ca 0.02 -0.77 -0.08 0.00 0.02 0.00 0.00 54.97 54.15 2idm s GLU 89 Cb 0.10 0.37 0.01 0.00 0.10 0.00 0.00 34.13 34.71 2idm s GLU 89 CO 0.72 -0.30 2.67 0.00 0.02 0.00 0.00 175.26 178.37 2idm n ALA 90 N 0.10 7.17 -2.60 5.21 0.00 -1.26 -4.91 120.51 124.21 2idm n ALA 90 Ca -0.16 -3.81 -0.41 0.00 0.00 0.00 0.00 53.44 49.06 2idm n ALA 90 Cb 0.62 -3.09 -0.07 0.00 0.00 0.00 0.00 19.45 16.91 2idm n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2idm s LYS 91 N 0.60 3.89 0.46 0.00 1.02 -1.26 -4.95 119.74 119.50 2idm s LYS 91 Ca 0.62 0.28 0.28 0.00 0.02 0.00 0.00 55.97 57.17 2idm s LYS 91 Cb 0.18 -3.73 1.34 0.00 -0.52 0.00 0.00 37.83 35.10 2idm s LYS 91 CO -0.08 -0.58 1.74 -0.22 -0.92 0.00 0.00 175.35 175.29 2idm h LYS 92 N 8.20 0.18 0.00 1.68 1.63 -1.98 -1.47 116.57 124.81 2idm h LYS 92 Ca -0.27 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 2idm h LYS 92 Cb 1.12 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 2idm h LYS 92 CO 0.80 0.12 0.00 0.39 -3.45 0.00 0.00 179.45 177.31 2idm n GLU 93 N -4.48 0.00 -0.21 1.90 -0.58 -1.26 -0.44 120.64 115.57 2idm n GLU 93 Ca 0.29 0.62 0.02 0.00 -0.42 0.00 0.00 57.16 57.67 2idm n GLU 93 Cb 1.17 -1.46 0.12 0.00 -0.57 0.00 0.00 31.44 30.70 2idm n GLU 93 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 2idm h ASN 94 N 0.00 -0.21 0.04 1.62 -0.73 -1.76 -1.27 115.58 113.27 2idm h ASN 94 Ca 0.00 0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.32 2idm h ASN 94 Cb 0.00 0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.84 2idm h ASN 94 CO 0.00 -0.09 -0.02 0.40 -0.37 0.00 0.00 177.43 177.35 2idm h ILE 95 N 0.15 1.00 -0.72 2.57 2.04 -1.14 -0.67 117.51 120.75 2idm h ILE 95 Ca 0.34 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 66.04 2idm h ILE 95 Cb 0.55 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2idm h ILE 95 CO -0.52 0.03 0.35 0.40 0.00 0.00 0.00 178.15 178.41 2idm h ILE 96 N -0.11 1.23 -0.42 -0.67 1.08 -0.33 -0.84 117.51 117.45 2idm h ILE 96 Ca -0.01 -0.66 -0.04 0.00 -0.39 0.00 0.00 64.86 63.76 2idm h ILE 96 Cb 0.09 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.17 2idm h ILE 96 CO 0.01 0.28 0.08 0.00 -0.69 0.00 0.00 178.15 177.82 2idm h ALA 97 N 1.17 1.35 -0.48 1.87 0.00 -1.09 0.69 119.26 122.77 2idm h ALA 97 Ca 0.25 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2idm h ALA 97 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2idm h ALA 97 CO -0.03 0.46 0.06 0.00 0.00 0.00 0.00 179.25 179.74 2idm h ALA 98 N 1.47 0.64 -0.55 0.00 0.00 0.05 0.52 119.26 121.39 2idm h ALA 98 Ca 0.14 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2idm h ALA 98 Cb 0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2idm h ALA 98 CO 0.00 0.38 0.03 0.00 0.00 0.00 0.00 179.25 179.66 2idm h ALA 99 N 0.95 0.74 -0.59 0.00 0.00 -0.76 0.21 119.26 119.81 2idm h ALA 99 Ca 0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2idm h ALA 99 Cb 0.41 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2idm h ALA 99 CO 0.01 0.53 0.19 1.96 0.00 0.00 0.00 179.25 181.95 2idm h GLN 100 N 0.83 0.91 0.00 0.00 4.20 -0.54 -1.89 115.11 118.63 2idm h GLN 100 Ca 0.16 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2idm h GLN 100 Cb 0.49 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2idm h GLN 100 CO 0.02 0.81 0.00 0.00 -0.67 0.00 0.00 178.83 178.99 2idm n ALA 101 N -2.39 2.25 -0.67 3.87 0.00 0.15 -4.84 120.51 118.87 2idm n ALA 101 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2idm n ALA 101 Cb 0.20 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2idm n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2idm n GLY 102 N 0.27 0.99 3.72 0.00 0.00 -0.71 -4.63 105.19 104.83 2idm n GLY 102 Ca 0.12 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 2idm n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2idm s ALA 103 N -2.00 3.83 0.26 4.61 0.00 0.72 -4.84 121.76 124.34 2idm s ALA 103 Ca 0.00 1.46 0.29 0.00 0.00 0.00 0.00 51.96 53.70 2idm s ALA 103 Cb 0.00 -3.65 1.29 0.00 0.00 0.00 0.00 23.12 20.76 2idm s ALA 103 CO 0.00 -0.84 1.98 0.77 0.00 0.00 0.00 175.76 177.67 2idm h SER 104 N 6.66 0.00 -5.98 0.00 0.02 -0.55 -3.44 113.55 110.26 2idm h SER 104 Ca -0.43 0.00 0.40 0.00 -0.84 0.00 0.00 61.79 60.92 2idm h SER 104 Cb 1.20 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.63 2idm h SER 104 CO 0.92 0.13 1.00 -0.83 -1.14 0.00 0.00 176.83 176.91 2idm s GLY 105 N -4.22 -0.37 0.02 -3.77 0.00 -1.12 -4.88 107.32 92.98 2idm s GLY 105 Ca -0.01 0.59 -0.12 0.00 0.00 0.00 0.00 44.72 45.18 2idm s GLY 105 CO 0.58 3.25 0.26 0.66 0.00 0.00 0.00 173.10 177.85 2idm s TRP 106 N -2.02 -0.06 0.01 1.90 -2.14 -1.26 -0.86 118.94 114.50 2idm s TRP 106 Ca 0.23 -0.04 -0.00 0.00 2.66 0.00 0.00 56.10 58.95 2idm s TRP 106 Cb 0.04 0.05 -0.01 0.00 -3.10 0.00 0.00 33.47 30.45 2idm s TRP 106 CO -0.05 -0.43 -0.01 0.14 -2.66 0.00 0.00 176.95 173.94 2idm s VAL 107 N -2.15 0.05 -0.24 -0.66 -7.23 0.13 -4.90 120.40 105.40 2idm s VAL 107 Ca -0.08 -0.42 -0.14 0.00 -1.81 0.00 0.00 61.98 59.53 2idm s VAL 107 Cb -0.03 -0.13 -0.04 0.00 0.56 0.00 0.00 36.38 36.74 2idm s VAL 107 CO -0.01 -0.23 0.35 -0.69 -0.31 0.00 0.00 175.10 174.21 2idm s VAL 108 N -0.68 5.21 0.25 1.32 1.01 -1.26 -0.20 120.40 126.06 2idm s VAL 108 Ca -0.07 0.55 -0.21 0.00 0.00 0.00 0.00 61.98 62.25 2idm s VAL 108 Cb -0.05 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 2idm s VAL 108 CO -0.00 0.21 0.77 -1.59 0.00 0.00 0.00 175.10 174.49 2idm s LYS 109 N 1.69 4.30 0.53 2.72 -2.85 -0.56 -3.70 119.74 121.88 2idm s LYS 109 Ca 0.15 0.95 -0.17 0.00 -1.00 0.00 0.00 55.97 55.91 2idm s LYS 109 Cb -0.15 -2.82 -0.07 0.00 -2.06 0.00 0.00 37.83 32.73 2idm s LYS 109 CO 0.09 0.35 1.00 -1.25 0.10 0.00 0.00 175.35 175.63 2idm s PRO 110 N -2.09 3.81 0.21 1.78 0.04 -1.26 -4.79 135.00 132.70 2idm s PRO 110 Ca 0.46 1.04 0.06 0.00 0.04 0.00 0.00 61.00 62.59 2idm s PRO 110 Cb -0.16 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 2idm s PRO 110 CO 0.21 -0.39 -0.08 -0.59 0.04 0.00 0.00 177.00 176.19 2idm s PHE 111 N -2.54 1.61 0.53 0.56 -0.12 -1.24 -5.16 117.98 111.61 2idm s PHE 111 Ca 0.60 -0.73 0.08 0.00 -0.05 0.00 0.00 56.93 56.83 2idm s PHE 111 Cb -0.12 -0.85 0.06 0.00 -0.63 0.00 0.00 43.02 41.49 2idm s PHE 111 CO 0.31 0.17 0.73 0.95 -0.05 0.00 0.00 175.22 177.33 2idm s THR 112 N -3.18 2.48 0.24 -4.49 -4.23 -1.26 -4.97 115.64 100.22 2idm s THR 112 Ca 0.24 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.80 2idm s THR 112 Cb 0.03 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.34 2idm s THR 112 CO 0.07 0.00 1.61 0.00 -0.54 0.00 0.00 174.62 175.76 2idm h ALA 113 N 0.29 0.91 -0.00 3.99 0.00 -1.99 -2.38 119.26 120.07 2idm h ALA 113 Ca -0.35 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2idm h ALA 113 Cb 1.28 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2idm h ALA 113 CO 0.43 0.64 0.00 0.00 0.00 0.00 0.00 179.25 180.32 2idm h ALA 114 N 1.16 0.00 -0.14 0.00 0.00 -1.98 -0.98 119.26 117.33 2idm h ALA 114 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2idm h ALA 114 Cb 0.90 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2idm h ALA 114 CO 0.08 -0.49 0.06 1.15 0.00 0.00 0.00 179.25 180.05 2idm h THR 115 N -0.01 1.13 -0.99 0.00 2.02 -1.93 -1.57 112.91 111.55 2idm h THR 115 Ca 0.00 -0.37 0.15 0.00 0.77 0.00 0.00 66.41 66.96 2idm h THR 115 Cb 0.02 1.12 -0.09 0.00 -1.74 0.00 0.00 68.15 67.46 2idm h THR 115 CO -0.00 0.12 0.62 0.25 0.37 0.00 0.00 175.52 176.88 2idm h LEU 116 N 0.09 0.85 -0.55 2.58 5.85 -1.26 0.14 115.31 123.02 2idm h LEU 116 Ca 0.05 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2idm h LEU 116 Cb 0.13 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2idm h LEU 116 CO -0.01 0.40 0.24 -0.08 -0.34 0.00 0.00 178.44 178.65 2idm h GLU 117 N 0.88 0.80 0.41 1.25 4.81 -0.87 -1.05 114.58 120.82 2idm h GLU 117 Ca 0.52 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.60 2idm h GLU 117 Cb 0.66 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2idm h GLU 117 CO -0.29 0.68 -0.20 1.49 -0.73 0.00 0.00 179.01 179.96 2idm h GLU 118 N 0.74 -0.53 -0.07 1.92 4.81 0.12 0.32 114.58 121.88 2idm h GLU 118 Ca 0.18 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.48 2idm h GLU 118 Cb 0.16 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2idm h GLU 118 CO -0.02 -0.33 -0.11 0.87 -0.73 0.00 0.00 179.01 178.70 2idm h LYS 119 N -0.61 -0.14 -0.51 1.92 1.79 -0.74 0.22 116.57 118.50 2idm h LYS 119 Ca -0.06 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.50 2idm h LYS 119 Cb 0.46 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.07 2idm h LYS 119 CO 0.09 -0.09 0.16 -0.07 -1.08 0.00 0.00 179.45 178.46 2idm h LEU 120 N -0.15 0.13 -0.35 2.94 3.38 -1.11 -0.02 115.31 120.13 2idm h LEU 120 Ca 0.06 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2idm h LEU 120 Cb 0.24 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2idm h LEU 120 CO -0.16 0.10 0.14 0.78 0.09 0.00 0.00 178.44 179.39 2idm h ASN 121 N 0.32 0.49 -0.87 -0.43 2.35 0.43 -0.16 115.58 117.72 2idm h ASN 121 Ca 0.25 -0.16 0.07 0.00 -0.55 0.00 0.00 56.30 55.91 2idm h ASN 121 Cb 0.30 -0.13 -0.07 0.00 0.05 0.00 0.00 38.32 38.48 2idm h ASN 121 CO -0.28 0.52 0.53 0.07 -1.65 0.00 0.00 177.43 176.62 2idm h LYS 122 N 0.43 0.92 -0.03 0.81 2.10 0.12 0.46 116.57 121.37 2idm h LYS 122 Ca 0.12 -0.06 -0.26 0.00 -2.00 0.00 0.00 60.65 58.46 2idm h LYS 122 Cb 0.18 -0.21 0.02 0.00 -0.90 0.00 0.00 32.23 31.32 2idm h LYS 122 CO -0.01 0.61 -0.99 0.97 -2.00 0.00 0.00 179.45 178.03 2idm h ILE 123 N 0.94 1.28 0.00 0.07 2.10 -0.82 -2.97 117.51 118.11 2idm h ILE 123 Ca 0.39 -2.20 -0.02 0.00 1.08 0.00 0.00 64.86 64.11 2idm h ILE 123 Cb 0.23 2.30 -0.00 0.00 -1.09 0.00 0.00 36.82 38.26 2idm h ILE 123 CO -0.19 0.68 -0.10 -0.26 -1.08 0.00 0.00 178.15 177.19 2idm h PHE 124 N 0.42 0.00 0.05 2.19 0.04 -0.57 -2.77 116.94 116.30 2idm h PHE 124 Ca -0.11 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.66 2idm h PHE 124 Cb 1.64 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.79 2idm h PHE 124 CO 0.10 0.10 -0.05 1.49 -0.60 0.00 0.00 178.31 179.35 2idm h GLU 125 N 0.00 -0.09 -0.07 1.51 4.57 -0.76 0.95 114.58 120.69 2idm h GLU 125 Ca -0.00 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2idm h GLU 125 Cb 0.18 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 2idm h GLU 125 CO 0.01 -0.06 -0.10 0.87 -1.18 0.00 0.00 179.01 178.55 2idm h LYS 126 N -0.10 -0.07 0.00 1.92 1.57 -1.46 1.05 116.57 119.49 2idm h LYS 126 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2idm h LYS 126 Cb 0.08 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2idm h LYS 126 CO -0.01 -0.05 0.35 1.28 -0.57 0.00 0.00 179.45 180.46 2idm n LEU 127 N -3.18 0.22 -3.24 2.94 4.77 -1.05 -4.77 117.00 112.69 2idm n LEU 127 Ca -0.01 0.45 -0.12 0.00 -0.03 0.00 0.00 56.01 56.30 2idm n LEU 127 Cb 0.06 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 40.81 2idm n LEU 127 CO 0.00 -0.52 0.12 0.61 -1.33 0.00 0.00 177.39 176.27 2idm n GLY 128 N -1.26 -1.18 0.00 -0.72 0.00 0.36 -5.07 105.19 97.32 2idm n GLY 128 Ca -0.01 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2idm n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35